5-(3-methylbutyl)-1-(8-methylnonyl)triazole

C17H33N3 — CID 59827215

IUPAC5-(3-methylbutyl)-1-(8-methylnonyl)triazole
SMILESCC(C)CCCCCCCn1nncc1CCC(C)C
InChIInChI=1S/C17H33N3/c1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4/h14-16H,5-13H2,1-4H3
InChIKeyGQHWWVPGDUQKHQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.86
Rot. Bonds11

About 5-(3-methylbutyl)-1-(8-methylnonyl)triazole

5-(3-methylbutyl)-1-(8-methylnonyl)triazole (PubChem CID 59827215) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1-(8-methylnonyl)triazole.

Molecular Properties

Compound Name5-(3-methylbutyl)-1-(8-methylnonyl)triazole
PubChem CID59827215
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-(3-methylbutyl)-1-(8-methylnonyl)triazole
SMILESCC(C)CCCCCCCn1nncc1CCC(C)C
InChIInChI=1S/C17H33N3/c1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4/h14-16H,5-13H2,1-4H3
InChIKeyGQHWWVPGDUQKHQ-UHFFFAOYSA-N
XLogP4.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methylbutyl)-1-(8-methylnonyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
The IUPAC name of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole (CID 59827215) is 5-(3-methylbutyl)-1-(8-methylnonyl)triazole.
What is the SMILES notation for 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
The canonical SMILES for 5-(3-methylbutyl)-1-(8-methylnonyl)triazole is CC(C)CCCCCCCn1nncc1CCC(C)C.
What is the InChIKey of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
The InChIKey is GQHWWVPGDUQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 5-(3-methylbutyl)-1-(8-methylnonyl)triazole?
5-(3-methylbutyl)-1-(8-methylnonyl)triazole has a molecular weight of 279.47 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-1-(8-methylnonyl)triazole is sourced from PubChem (CID 59827215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).